UCSF

ZINC37985819

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 4.64 -14.39 1 6 0 82 301.364 9
Mid Mid (pH 6-8) 2.32 4.8 -47.53 0 6 -1 84 300.356 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )